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I-TASSER results for job id Rv3362c

[Click on result.tar.bz2 to download the tarball file including all modelling results listed on this page]

 Input Sequence in FASTA format
 Predicted Secondary Structure
 Predicted Solvent Accessibility
 Predicted Normalized B-facotr
 Top 10 threading templates used by I-TASSER
 Top 5 final models predicted by I-TASSER

(For each target, I-TASSER simulations generate a large ensemble of structural conformations, called decoys. To select the final models, I-TASSER uses the SPICKER program to cluster all the decoys based on the pair-wise structure similarity, and reports up to five models which corresponds to the five largest structure clusters. The confidence of each model is quantitatively measured by C-score that is calculated based on the significance of threading template alignments and the convergence parameters of the structure assembly simulations. C-score is typically in the range of [-5, 2], where a C-score of higher value signifies a model with a high confidence and vice-versa. TM-score and RMSD are estimated based on C-score and protein length following the correlation observed between these qualities. Since the top 5 models are ranked by the cluster size, it is possible that the lower-rank models have a higher C-score in rare cases. Although the first model has a better quality in most cases, it is also possible that the lower-rank models have a better quality than the higher-rank models as seen in our benchmark tests. If the I-TASSER simulations converge, it is possible to have less than 5 clusters generated. This is usually an indication that the models have a good quality because of the converged simulations.)
 Proteins structureally close to the target in PDB (as identified by TM-align

(After the structure assembly simulation, I-TASSER uses the TM-align structural alignment program to match the first I-TASSER model to all structures in the PDB library. This section reports the top 10 proteins from the PDB that have the closest structural similarity, i.e. the highest TM-score, to the predicted I-TASSER model. Due to the structural similarity, these proteins often have similar function to the target. However, users are encouraged to use the data in the next section 'Predicted function using COACH' to infer the function of the target protein, since COACH has been extensively trained to derive biological functions from multi-source of sequence and structure features which has on average a higher accuracy than the function annotations derived only from the global structure comparison.)


 Predicted function using COACH

(This section reports biological annotations of the target protein by COACH based on the I-TASSER structure prediction. COACH is a meta-server approach that combines multiple function annotation results from the COFACTOR, TM-SITE and S-SITE programs.)


  Ligand binding sites

Rank C-score Cluster
size
PDB
Hit
Lig
Name
Download
Complex
Ligand Binding Site Residues
10.79 646 2fg5A GNP Rep, Mult 22,23,24,25,26,27,28,58,59,60,64,65,88,137,138,140,141,166,167,168
20.01 5 1uptA MG Rep, Mult 27,65
30.00 1 3t1oA MG Rep, Mult 43,44,68,69
40.00 1 3rslA RSF Rep, Mult 33,73,75,170,178
50.00 1 3hytC MG Rep, Mult 26,27
60.00 1 2bcj3 III Rep, Mult 90,93,94,96,97,98,100,117,121,123,124,125,127,128
70.00 1 5c2kA AF3 Rep, Mult 22,23,26,64,65,88,89
80.00 3 4dsnA MG Rep, Mult 20,87,88,121
90.00 2 3t1oA MG Rep, Mult 111,112,113,114,115,118,145
100.00 2 4js0A III Rep, Mult 13,14,15,27,31,33,66,68,69,70,71,72,73,74,75,76,80,82,84,95,98,99,174,178,181,182
110.00 1 1g16C CO Rep, Mult 35,170,174
120.00 3 2msdB GNP Rep, Mult 23,25,26,27,28,58,59,60,61,62,63,64,65,137,138,166,167,168
130.00 1 3t1oA MG Rep, Mult 126

Download the all possible binding ligands and detailed prediction summary.
Download the templates clustering results.
(a)C-score is the confidence score of the prediction. C-score ranges [0-1], where a higher score indicates a more reliable prediction.
(b)Cluster size is the total number of templates in a cluster.
(c)Lig Name is name of possible binding ligand. Click the name to view its information in the BioLiP database.
(d)Rep is a single complex structure with the most representative ligand in the cluster, i.e., the one listed in the Lig Name column.
Mult is the complex structures with all potential binding ligands in the cluster.

  Enzyme Commission (EC) numbers and active sites

RankCscoreECPDB
Hit
TM-scoreRMSDaIDENaCovEC NumberActive Site Residues
10.5262bmeA0.7532.060.1820.8393.6.5.223,89
20.4812f9mA0.7452.260.1650.8393.6.5.223,89
30.3323bc1A0.7442.080.1900.8343.6.5.223
40.1461uqrK0.5224.060.0880.7254.2.1.10NA
50.1463lwzA0.5153.140.1410.6534.2.1.10NA
60.1223bfkB0.7352.270.1530.8343.6.5.223,89
70.0892r25B0.4703.490.0890.6172.7.13.3117
80.0671uqrD0.5264.020.0870.7254.2.1.10144
90.0671cb7A0.4973.490.0540.6635.4.99.121,103
100.0661d0iH0.5243.670.0860.7204.2.1.10NA
110.0661b1aA0.4843.290.0230.6325.4.99.1NA
120.0661y80A0.4673.090.0780.5962.1.1.13NA
130.0661bdjA0.4743.360.0820.6322.7.13.3117,131
140.0661gqoB0.4983.570.0850.6744.2.1.10NA
150.0661h0rA0.4913.690.1300.6744.2.1.10144
160.0661be1A0.4723.710.0710.6485.4.99.1125
170.0662uygA0.4813.740.0790.6584.2.1.10144
180.0662uygL0.4813.730.0790.6584.2.1.10NA
190.0602j3eA0.6483.540.1240.8503.6.5.-NA
200.0601aa9A0.6952.630.1990.8343.6.5.-89
210.0601xzpA0.6023.860.1070.8083.6.5.-129
220.0601cp2A0.6214.070.1260.8451.18.6.126
230.0601eg7A0.6454.260.0760.8966.3.4.326
240.0601f60A0.6593.790.1390.8713.6.5.3NA
250.0602rdo70.6783.130.1600.8293.6.5.3NA
260.0602atxA0.7062.220.1470.8083.6.5.289
270.0601ob2A0.7353.030.1370.8863.6.1.48NA
280.0602elfA0.6492.740.1120.7823.6.1.4825,27
290.0601e0sA0.6532.610.1380.7673.6.1.4789
300.0601b23P0.7393.010.1370.8913.6.5.3NA
310.0601cp2B0.6183.950.1260.8341.18.6.188,119,126
320.0602v40A0.5574.350.1380.8146.3.4.4NA
330.0601m2oB0.6832.010.2150.7723.6.5.-NA
340.0601d2eA0.7063.190.1420.8763.6.5.3NA
350.0601vcmA0.5873.830.0790.8146.3.4.2NA
360.0602ywfA0.6792.750.1790.8083.6.5.-NA

(a)CscoreEC is the confidence score for the EC number prediction. CscoreEC values range in between [0-1];
where a higher score indicates a more reliable EC number prediction.
(b)TM-score is a measure of global structural similarity between query and template protein.
(c)RMSDa is the RMSD between residues that are structurally aligned by TM-align.
(d)IDENa is the percentage sequence identity in the structurally aligned region.
(e)Cov represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided
by length of the query protein.

  Gene Ontology (GO) terms

Homologous GO templates in PDB 
RankCscoreGOTM-scoreRMSDaIDENaCovPDB HitAssociated GO Terms
00.350.7542.380.160.863doeA GO:0000166 GO:0003924 GO:0005095 GO:0005525 GO:0005622 GO:0005634 GO:0005737 GO:0005739 GO:0005758 GO:0005759 GO:0005813 GO:0005815 GO:0005829 GO:0005856 GO:0007021 GO:0007049 GO:0007264 GO:0010811 GO:0016328 GO:0031113 GO:0031116 GO:0034260 GO:0050796 GO:0051297 GO:0051457 GO:0070062 GO:0070830 GO:0072372
10.340.7692.510.210.883t1tA GO:0005525 GO:0046872
20.130.6832.200.160.773cpjB GO:0000139 GO:0000166 GO:0003924 GO:0005525 GO:0005768 GO:0005794 GO:0005802 GO:0005829 GO:0006810 GO:0006887 GO:0006914 GO:0007264 GO:0015031 GO:0016020 GO:0016192 GO:0034498 GO:0055037
30.130.7592.810.120.914v6wAz GO:0000022 GO:0000166 GO:0003746 GO:0003924 GO:0005525 GO:0005737 GO:0005811 GO:0005829 GO:0005875 GO:0006412 GO:0006414 GO:0007052
40.130.7252.790.160.864zu9A GO:0003723 GO:0003924 GO:0005525 GO:0005622 GO:0005737 GO:0006412 GO:0006790
50.130.7283.430.140.903jcrB GO:0000166 GO:0000398 GO:0003924 GO:0005525 GO:0005634 GO:0005654 GO:0005681 GO:0005737 GO:0006397 GO:0006412 GO:0008380 GO:0015030 GO:0016020 GO:0016607 GO:0031012 GO:0035690 GO:0042220 GO:0044822 GO:0071013
60.130.7493.030.090.905gamC GO:0000166 GO:0000244 GO:0000349 GO:0000388 GO:0000398 GO:0003924 GO:0005525 GO:0005634 GO:0005682 GO:0006397 GO:0006412 GO:0008380 GO:0030623 GO:0042256 GO:0046540
70.120.7193.260.180.882dy1A GO:0000166 GO:0003746 GO:0003924 GO:0005525 GO:0006414
80.120.6822.020.210.774bziB GO:0000139 GO:0000166 GO:0000266 GO:0003400 GO:0003924 GO:0005525 GO:0005622 GO:0005739 GO:0005783 GO:0005789 GO:0005794 GO:0006810 GO:0006886 GO:0007006 GO:0012507 GO:0015031 GO:0016020 GO:0016050 GO:0016192 GO:0016787 GO:0030127 GO:0031410 GO:0044233 GO:0044802 GO:0070971
90.120.6821.960.250.762p5sB GO:0000166 GO:0005509 GO:0005525 GO:0005737 GO:0007264 GO:0046872 GO:0048471
100.120.7342.980.150.884v85AW GO:0000166 GO:0003924 GO:0005525 GO:0005737 GO:0005829 GO:0006412 GO:0006415 GO:0006449 GO:0016149 GO:0016150 GO:0019003
110.120.7322.880.130.883ep2X GO:0000166 GO:0003746 GO:0003924 GO:0005525 GO:0005622 GO:0005737 GO:0006412 GO:0006414 GO:0016787
120.120.7012.790.150.833tw8D GO:0000139 GO:0000166 GO:0000910 GO:0003924 GO:0005525 GO:0005546 GO:0005739 GO:0005768 GO:0005789 GO:0005886 GO:0005905 GO:0006810 GO:0006888 GO:0007264 GO:0008104 GO:0010008 GO:0015031 GO:0016020 GO:0016197 GO:0019003 GO:0019882 GO:0030136 GO:0031175 GO:0031253 GO:0031410 GO:0032456 GO:0036010 GO:0042470 GO:0045171 GO:0045334 GO:0048227 GO:0070062 GO:1990090
130.120.7292.600.170.853wxmA GO:0000166 GO:0003746 GO:0003924 GO:0005525 GO:0005737 GO:0006412 GO:0006414
140.120.7393.010.140.891b23P GO:0000166 GO:0003746 GO:0003924 GO:0005525 GO:0005622 GO:0005737 GO:0006412 GO:0006414
150.120.7222.810.190.854v9hAY GO:0000166 GO:0003746 GO:0003924 GO:0005525 GO:0005622 GO:0005737 GO:0006412 GO:0006414
160.120.6872.240.130.793lrpA GO:0000166 GO:0005525 GO:0005622 GO:0005794 GO:0006471 GO:0006810 GO:0006886 GO:0007264 GO:0015031 GO:0016192 GO:0020020
170.120.7052.280.150.802fv8A GO:0000166 GO:0000910 GO:0001525 GO:0003924 GO:0005525 GO:0005634 GO:0005768 GO:0005769 GO:0005770 GO:0005829 GO:0005886 GO:0005925 GO:0006810 GO:0006886 GO:0006915 GO:0007155 GO:0007264 GO:0007266 GO:0007275 GO:0008333 GO:0010008 GO:0010595 GO:0015031 GO:0016020 GO:0019003 GO:0030154 GO:0030168 GO:0030334 GO:0030336 GO:0031902 GO:0032154 GO:0043065 GO:0045766 GO:0045786 GO:0051056 GO:0061154 GO:0070062 GO:0070301 GO:0071479
180.120.7323.310.170.905j8bz GO:0000166 GO:0003723 GO:0003735 GO:0003746 GO:0003924 GO:0005525 GO:0005622 GO:0005840 GO:0005886 GO:0006412 GO:0006414 GO:0016020 GO:0016787 GO:0019843 GO:0030529 GO:0043022 GO:0045727
190.120.7062.440.150.823j81k GO:0000049 GO:0000166 GO:0001731 GO:0003743 GO:0003924 GO:0005525 GO:0005850 GO:0006412 GO:0006413 GO:0016282 GO:0031369 GO:0033290 GO:0043614 GO:0045903
200.120.6462.400.130.754y0vA GO:0000166 GO:0005525 GO:0005622 GO:0007264
210.120.7332.170.170.835di3B GO:0000166 GO:0005525 GO:0005622 GO:0005886 GO:0005929 GO:0007264 GO:0016020 GO:0042995 GO:0060170
220.120.7263.020.110.883j5yB GO:0000082 GO:0000166 GO:0000184 GO:0002184 GO:0003747 GO:0003924 GO:0005525 GO:0005622 GO:0005829 GO:0006412 GO:0006479 GO:0018444 GO:0044822
230.120.7142.350.200.823cphA GO:0000131 GO:0000139 GO:0000166 GO:0003924 GO:0005525 GO:0005737 GO:0005789 GO:0005886 GO:0006810 GO:0006887 GO:0006888 GO:0006893 GO:0006906 GO:0006914 GO:0007107 GO:0007264 GO:0015031 GO:0016020 GO:0030133 GO:0030658 GO:0031321 GO:0031410 GO:0031982 GO:0043332
240.110.7122.650.150.843jcjf GO:0000166 GO:0003743 GO:0003924 GO:0005525 GO:0005622 GO:0005737 GO:0005829 GO:0006412 GO:0006413 GO:0016020 GO:0043024 GO:0097216
250.110.7043.290.170.883vr1A GO:0000166 GO:0003924 GO:0005525 GO:0005737 GO:0006412 GO:0006415 GO:0006449 GO:0016149
260.110.7283.430.120.903jb9B GO:0000166 GO:0000244 GO:0000974 GO:0003924 GO:0005525 GO:0005634 GO:0005681 GO:0005682 GO:0005737 GO:0005829 GO:0006397 GO:0006412 GO:0008380 GO:0045292 GO:0046540 GO:1902802
270.110.6992.800.170.832mscB GO:0000166 GO:0005525 GO:0005622 GO:0007165 GO:0007264 GO:0016020 GO:0046872
280.110.6752.720.150.812q3fA GO:0000166 GO:0003924 GO:0005525 GO:0005634 GO:0005737 GO:0005764 GO:0005829 GO:0007050 GO:0009267 GO:0010506 GO:0016236 GO:0032008 GO:0034448 GO:0034613 GO:0046982 GO:0071230 GO:1990131
290.110.6452.700.170.762b6hA GO:0000166 GO:0003924 GO:0005525 GO:0005622 GO:0005737 GO:0005794 GO:0005886 GO:0006810 GO:0006890 GO:0007264 GO:0015031 GO:0016020 GO:0016192 GO:0048471 GO:0070062
300.110.6722.510.130.791hurA GO:0000139 GO:0000166 GO:0000287 GO:0002090 GO:0003924 GO:0005057 GO:0005525 GO:0005622 GO:0005737 GO:0005770 GO:0005778 GO:0005794 GO:0005802 GO:0005829 GO:0005886 GO:0005925 GO:0006661 GO:0006810 GO:0006878 GO:0006892 GO:0007015 GO:0007264 GO:0012505 GO:0014069 GO:0015031 GO:0016020 GO:0016192 GO:0019003 GO:0019886 GO:0030017 GO:0030054 GO:0030137 GO:0031252 GO:0034315 GO:0034379 GO:0043005 GO:0043085 GO:0044822 GO:0045202 GO:0045211 GO:0045807 GO:0045956 GO:0048471 GO:0050690 GO:0050714 GO:0055108 GO:0060292 GO:0060999 GO:0070062 GO:0070142 GO:0097061 GO:0097212 GO:1902307 GO:1902824 GO:1902953 GO:1903725 GO:1990583
310.110.6632.480.140.771z6xA GO:0000166 GO:0003924 GO:0005086 GO:0005154 GO:0005525 GO:0005622 GO:0005737 GO:0005794 GO:0005829 GO:0005886 GO:0006471 GO:0006810 GO:0006888 GO:0006890 GO:0007173 GO:0007264 GO:0007420 GO:0007612 GO:0015031 GO:0016020 GO:0016192 GO:0016477 GO:0031012 GO:0031584 GO:0032587 GO:0043066 GO:0043197 GO:0043547 GO:0045176 GO:0045197 GO:0045944 GO:0048678 GO:0060996 GO:0061512 GO:0070062 GO:2000377
320.100.6603.260.170.822lkcA GO:0000166 GO:0003743 GO:0003924 GO:0005525 GO:0005622 GO:0005737 GO:0006412 GO:0006413
330.100.6972.570.170.812hxsA GO:0000166 GO:0003924 GO:0005525 GO:0005737 GO:0005856 GO:0005886 GO:0007264 GO:0016020 GO:0019003 GO:0035253 GO:0036064 GO:0042995 GO:1901998
340.100.6472.220.180.751f6bB GO:0000166 GO:0005525 GO:0005622 GO:0005783 GO:0005789 GO:0005794 GO:0006810 GO:0006886 GO:0015031 GO:0016020 GO:0016192 GO:0032580 GO:0046872
350.090.6522.400.130.763aq4A GO:0000166 GO:0005525 GO:0005622 GO:0005768 GO:0005794 GO:0005829 GO:0006810 GO:0007264 GO:0015031 GO:0016004 GO:0016192 GO:0043085
360.090.5912.170.200.682gaoA GO:0000166 GO:0005525 GO:0005622 GO:0005783 GO:0005794 GO:0006810 GO:0006886 GO:0015031 GO:0016192 GO:0070062
370.080.6362.950.140.792k5uA GO:0000166 GO:0003924 GO:0005525 GO:0005622 GO:0005794 GO:0006810 GO:0006888 GO:0006893 GO:0007264 GO:0015031 GO:0016192 GO:0016236
380.080.6282.680.140.764ileA GO:0000166 GO:0003924 GO:0005525 GO:0005622 GO:0005737 GO:0005764 GO:0005765 GO:0005768 GO:0007049 GO:0007059 GO:0007067 GO:0007264 GO:0016020 GO:0030496 GO:0031902 GO:0043014 GO:0048487 GO:0051233 GO:0051301 GO:0070062
390.070.6512.900.160.784djtB GO:0000166 GO:0005525 GO:0005634 GO:0006810 GO:0007264 GO:0015031
400.070.6963.390.180.865ck3D GO:0016020 GO:0016021
410.070.6112.970.190.745ck5A GO:0016020 GO:0016021


Consensus prediction of GO terms
 
Molecular Function GO:0005525 GO:0003924 GO:0005095 GO:0046872
GO-Score 0.72 0.57 0.35 0.34
Biological Processes GO:0044267 GO:0010467 GO:0043043 GO:0034645 GO:0007264 GO:0051297 GO:0007021 GO:0031116 GO:0050796 GO:0070830 GO:0034260 GO:0007049 GO:0010811 GO:0051457
GO-Score 0.49 0.49 0.49 0.49 0.43 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35
Cellular Component GO:0005829 GO:0072372 GO:0005758 GO:0005813 GO:0070062 GO:0005634 GO:0005759 GO:0016328
GO-Score 0.51 0.35 0.35 0.35 0.35 0.35 0.35 0.35

(a)CscoreGO is a combined measure for evaluating global and local similarity between query and template protein. It's range is [0-1] and higher values indicate more confident predictions.
(b)TM-score is a measure of global structural similarity between query and template protein.
(c)RMSDa is the RMSD between residues that are structurally aligned by TM-align.
(d)IDENa is the percentage sequence identity in the structurally aligned region.
(e)Cov represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein.
(f)The second table shows a consensus GO terms amongst the top scoring templates. The GO-Score associated with each prediction is defined as the average weight of the GO term, where the weights are assigned based on CscoreGO of the template.

[Click on result.tar.bz2 to download the tarball file including all modelling results listed on this page]



Please cite the following articles when you use the I-TASSER server:
1. J Yang, R Yan, A Roy, D Xu, J Poisson, Y Zhang. The I-TASSER Suite: Protein structure and function prediction. Nature Methods, 12: 7-8, 2015.
2. J Yang, Y Zhang. I-TASSER server: new development for protein structure and function predictions, Nucleic Acids Research, 43: W174-W181, 2015.
3.A Roy, A Kucukural, Y Zhang. I-TASSER: a unified platform for automated protein structure and function prediction. Nature Protocols, 5: 725-738, 2010.
4.Y Zhang. I-TASSER server for protein 3D structure prediction. BMC Bioinformatics, 9: 40, 2008.